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4-chloro-3,5-bis(difluoromethyl)-1H-pyrazole

4-chloro-3,5-bis(difluoromethyl)-1H-pyrazole

CAS: 1092769-15-7

Formula: C5H3ClF4N2

SMILES: FC(F)C1=C(Cl)C(=NN1)C(F)F

IUPAC: 4-chloro-3,5-bis(difluoromethyl)-1H-pyrazole

InChI: InChI=1S/C5H3ClF4N2/c6-1-2(4(7)8)11-12-3(1)5(9)10/h4-5H,(H,11,12)

Composition: C (29.65%), H (1.49%), Cl (17.50%), F (37.52%), N (13.83%)

Molar Mass: 202.54

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.9920885
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey GVNPAXKOYSBIBT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.24
Topological Polar Surface Area 28.68
Polarizability 12.47
Ring Count 1
Rotatable Bond Count 2

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